All Categories (1-4 of 4)

1. DFT-LDA Helium

   Tools | 06 Dec 2018 | Contributor(s):: Dongsheng Wen, Alejandro Strachan

   Calculate ground state energy of Helium atom with DFT.

2. Computational Helium

   Tools | 07 Jul 2017 | Contributor(s):: Alejandro Strachan

   This notebook solves the ground state for the helium atom computationally within the mean field approximation using four Gaussian functions as the basis set.

3. Computational Hydrogen Notebook

   Tools | 09 May 2017 | Contributor(s):: Martin Hunt, Alejandro Strachan

   Solve the ground state for the hydrogen atom computationally using four gaussian functions as the basis set. You can change the width of each gaussian and explore how the description changes. Compare the energy and wave function with the exact solution.

4. Computational Hydrogen

   Tools | 09 May 2017 | Contributor(s):: Martin Hunt, Alejandro Strachan

   Solve the ground state for the hydrogen atom computationally using four gaussian functions as the basis set. You can change the width of each gaussian and explore how the description changes. Compare the energy and wave function with the exact solution.